bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide

C7H9IO — CID 174565915

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
SMILESCO.I.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H
InChIKeyKEYGQVCTMJRTKR-UHFFFAOYSA-N
MW236.05 g/mol
LogP1.89
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide

bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide (PubChem CID 174565915) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
PubChem CID174565915
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
SMILESCO.I.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H
InChIKeyKEYGQVCTMJRTKR-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide (CID 174565915) is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide is CO.I.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The InChIKey is KEYGQVCTMJRTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide has a molecular weight of 236.05 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide is sourced from PubChem (CID 174565915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).